1,5-dicyclohexyl-1H-imidazole

• ChemBase ID: 149356
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: c1c(n(cn1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)n1cncc1C1CCCCC1
• InChI: InChI=1S/C15H24N2/c1-3-7-13(8-4-1)15-11-16-12-17(15)14-9-5-2-6-10-14/h11-14H,1-10H2
• InChIKey: RPUYMGRFOKMRSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dicyclohexyl-1H-imidazole
• IUPAC Traditional name: 1,5-dicyclohexylimidazole
• Synonyms: 1,5-Dicyclohexylimidazole; 1,5-二环己基并咪唑

Database IDs

• CAS Number: 80964-44-9
• MDL Number: MFCD00012323
• PubChem SID: 162243523; 24859026
• PubChem CID: 719789

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.274263
• LogD (pH = 7.4): 3.7110085
• Log P: 3.834759
• Molar Refractivity: 71.0698 cm^3
• Polarizability: 27.634077 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-116 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C15H24N2

DETAILS

Sigma Aldrich - 316547

Packaging
1 g in glass bottle